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SMILES: CC1(C)N(Cc2c(NC(=O)c3ccc(F)cc3)n[nH]c12)C(=O)N1CCN(CCO)CC1

InChI Key: InChIKey=BOYUIYWAXWEOCT-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50027397   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM50027397
PNG
(CHEMBL604714)
Show SMILES CC1(C)N(Cc2c(NC(=O)c3ccc(F)cc3)n[nH]c12)C(=O)N1CCN(CCO)CC1
Show InChI InChI=1S/C21H27FN6O3/c1-21(2)17-16(13-28(21)20(31)27-9-7-26(8-10-27)11-12-29)18(25-24-17)23-19(30)14-3-5-15(22)6-4-14/h3-6,29H,7-13H2,1-2H3,(H2,23,24,25,30)
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PubMed
n/an/a 60n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of human CDK2/cyclin A expressed in Escherichia coli BL21 by scintillation proximity assay

Bioorg Med Chem 18: 1844-53 (2010)


Article DOI: 10.1016/j.bmc.2010.01.042
BindingDB Entry DOI: 10.7270/Q21R6RG5
More data for this
Ligand-Target Pair